9-azanyl-5-cyclopentyl-2-(4-phenoxyphenyl)-1H-pyrimido[4,5-f][1,3,5]triazepin-4-one

Systemtic Name: 9-azanyl-5-cyclopentyl-2-(4-phenoxyphenyl)-1H-pyrimido[4,5-f][1,3,5]triazepin-4-one Openeye Name: 9-amino-5-cyclopentyl-2-(4-phenoxyphenyl)-1H-pyrimido[4,5-f][1,3,5]triazepin-4-one CAS Name: 9-amino-5-cyclopentyl-2-(4-phenoxyphenyl)-1H-pyrimido[4,5-f][1,3,5]triazepin-4-one IUPAC Name: 9-amino-5-cyclopentyl-2-(4-phenoxyphenyl)-1H-pyrimido[4,5-f][1,3,5]triazepin-4-one Traditional Name: 9-amino-5-cyclopentyl-2-(4-phenoxyphenyl)-1H-pyrimido[4,5-f][1,3,5]triazepin-4-one Formula: C23H22N6O2 MolecularWeight: 414.45978

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=C(C(=NC=N3)N)NC(=NC2=O)C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)N2C3=C(C(=NC=N3)N)NC(=NC2=O)C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C23H22N6O2/c24-20-19-22(26-14-25-20)29(16-6-4-5-7-16)23(30)28-21(27-19)15-10-12-18(13-11-15)31-17-8-2-1-3-9-17/h1-3,8-14,16H,4-7H2,(H2,24,25,26)(H,27,28,30)