6-[(2-azanylpurin-9-yl)methyl]-3-cyclohexyl-5-methyl-quinazolin-4-one

Systemtic Name: 6-[(2-azanylpurin-9-yl)methyl]-3-cyclohexyl-5-methyl-quinazolin-4-one Openeye Name: 6-[(2-aminopurin-9-yl)methyl]-3-cyclohexyl-5-methyl-quinazolin-4-one CAS Name: 6-[(2-amino-9-purinyl)methyl]-3-cyclohexyl-5-methyl-4-quinazolinone IUPAC Name: 6-[(2-aminopurin-9-yl)methyl]-3-cyclohexyl-5-methylquinazolin-4-one Traditional Name: 6-[(2-aminopurin-9-yl)methyl]-3-cyclohexyl-5-methyl-quinazolin-4-one Formula: C21H23N7O MolecularWeight: 389.45362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=O)N(C=N2)C3CCCCC3)CN4C=NC5=CN=C(N=C54)N

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)N(C=N2)C3CCCCC3)CN4C=NC5=CN=C(N=C54)N

InChI

InChI=1S/C21H23N7O/c1-13-14(10-27-11-24-17-9-23-21(22)26-19(17)27)7-8-16-18(13)20(29)28(12-25-16)15-5-3-2-4-6-15/h7-9,11-12,15H,2-6,10H2,1H3,(H2,22,23,26)