(phenylmethyl) N-[5-[(2-azanyl-7H-purin-6-yl)amino]-5-(5-methyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)pentyl]carbamate

Systemtic Name: (phenylmethyl) N-[5-[(2-azanyl-7H-purin-6-yl)amino]-5-(5-methyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)pentyl]carbamate Openeye Name: benzyl N-[5-[(2-amino-7H-purin-6-yl)amino]-5-(5-methyl-4-oxo-3-phenyl-quinazolin-2-yl)pentyl]carbamate CAS Name: N-[5-[(2-amino-7H-purin-6-yl)amino]-5-(5-methyl-4-oxo-3-phenyl-2-quinazolinyl)pentyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[5-[(2-amino-7H-purin-6-yl)amino]-5-(5-methyl-4-oxo-3-phenylquinazolin-2-yl)pentyl]carbamate Traditional Name: N-[5-[(2-amino-7H-purin-6-yl)amino]-5-(4-keto-5-methyl-3-phenyl-quinazolin-2-yl)pentyl]carbamic acid benzyl ester Formula: C33H33N9O3 MolecularWeight: 603.67362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3)C(CCCCNC(=O)OCC4=CC=CC=C4)NC5=NC(=NC6=C5NC=N6)N

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3)C(CCCCNC(=O)OCC4=CC=CC=C4)NC5=NC(=NC6=C5NC=N6)N

InChI

InChI=1S/C33H33N9O3/c1-21-11-10-17-24-26(21)31(43)42(23-14-6-3-7-15-23)30(39-24)25(38-29-27-28(37-20-36-27)40-32(34)41-29)16-8-9-18-35-33(44)45-19-22-12-4-2-5-13-22/h2-7,10-15,17,20,25H,8-9,16,18-19H2,1H3,(H,35,44)(H4,34,36,37,38,40,41)