U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H23N9O
Molecular Weight 393.4456
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PRT-062607

SMILES

N[C@H]1CCCC[C@H]1NC2=NC=C(C(N)=O)C(NC3=CC=CC(=C3)N4N=CC=N4)=N2

InChI

InChIKey=TXGKRVFSSHPBAJ-JKSUJKDBSA-N
InChI=1S/C19H23N9O/c20-15-6-1-2-7-16(15)26-19-22-11-14(17(21)29)18(27-19)25-12-4-3-5-13(10-12)28-23-8-9-24-28/h3-5,8-11,15-16H,1-2,6-7,20H2,(H2,21,29)(H2,22,25,26,27)/t15-,16+/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H23N9O
Molecular Weight 393.4456
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
K9C42672RH
Record Status Validated (UNII)
Record Version