4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3a,12a-dihydro-3H-purino[2,3-b]quinazolin-11-one

Systemtic Name: 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3a,12a-dihydro-3H-purino[2,3-b]quinazolin-11-one Openeye Name: 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3a,12a-dihydro-3H-purino[2,3-b]quinazolin-11-one CAS Name: 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3a,12a-dihydro-3H-purino[2,3-b]quinazolin-11-one IUPAC Name: 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3a,12a-dihydro-3H-purino[2,3-b]quinazolin-11-one Traditional Name: 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3a,12a-dihydro-3H-purino[2,3-b]quinazolin-11-one Formula: C18H16N8O MolecularWeight: 360.37264

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=NN2)NC3=NC4=NC5=CC=CC=C5C(=O)N4C6C3NC=N6

Isomeric SMILES

C1CC1C2=CC(=NN2)NC3=NC4=NC5=CC=CC=C5C(=O)N4C6C3NC=N6

InChI

InChI=1S/C18H16N8O/c27-17-10-3-1-2-4-11(10)21-18-23-15(14-16(26(17)18)20-8-19-14)22-13-7-12(24-25-13)9-5-6-9/h1-4,7-9,14,16H,5-6H2,(H,19,20)(H2,21,22,23,24,25)