2-[1-[(2-azanyl-7H-purin-6-yl)amino]ethyl]-3-cyclohexyl-5-methyl-quinazolin-4-one

Systemtic Name: 2-[1-[(2-azanyl-7H-purin-6-yl)amino]ethyl]-3-cyclohexyl-5-methyl-quinazolin-4-one Openeye Name: 2-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-3-cyclohexyl-5-methyl-quinazolin-4-one CAS Name: 2-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-3-cyclohexyl-5-methyl-4-quinazolinone IUPAC Name: 2-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-3-cyclohexyl-5-methylquinazolin-4-one Traditional Name: 2-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-3-cyclohexyl-5-methyl-quinazolin-4-one Formula: C22H26N8O MolecularWeight: 418.49484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C3CCCCC3)C(C)NC4=NC(=NC5=C4NC=N5)N

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3CCCCC3)C(C)NC4=NC(=NC5=C4NC=N5)N

InChI

InChI=1S/C22H26N8O/c1-12-7-6-10-15-16(12)21(31)30(14-8-4-3-5-9-14)20(27-15)13(2)26-19-17-18(25-11-24-17)28-22(23)29-19/h6-7,10-11,13-14H,3-5,8-9H2,1-2H3,(H4,23,24,25,26,28,29)