tert-butyl N-(4-azanyl-1-methyl-2-oxidanylidene-5-phenylmethoxy-pyrimido[4,5-d]pyrimidin-7-yl)-N-(4-iodophenyl)carbamate

Systemtic Name: tert-butyl N-(4-azanyl-1-methyl-2-oxidanylidene-5-phenylmethoxy-pyrimido[4,5-d]pyrimidin-7-yl)-N-(4-iodophenyl)carbamate Openeye Name: tert-butyl N-(4-amino-5-benzyloxy-1-methyl-2-oxo-pyrimido[4,5-d]pyrimidin-7-yl)-N-(4-iodophenyl)carbamate CAS Name: N-(4-amino-1-methyl-2-oxo-5-phenylmethoxy-7-pyrimido[4,5-d]pyrimidinyl)-N-(4-iodophenyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(4-amino-1-methyl-2-oxo-5-phenylmethoxypyrimido[4,5-d]pyrimidin-7-yl)-N-(4-iodophenyl)carbamate Traditional Name: N-(4-amino-5-benzoxy-2-keto-1-methyl-pyrimido[4,5-d]pyrimidin-7-yl)-N-(4-iodophenyl)carbamic acid tert-butyl ester Formula: C25H25IN6O4 MolecularWeight: 600.40827

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C1=CC=C(C=C1)I)C2=NC3=C(C(=NC(=O)N3C)N)C(=N2)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N(C1=CC=C(C=C1)I)C2=NC3=C(C(=NC(=O)N3C)N)C(=N2)OCC4=CC=CC=C4

InChI

InChI=1S/C25H25IN6O4/c1-25(2,3)36-24(34)32(17-12-10-16(26)11-13-17)22-29-20-18(19(27)28-23(33)31(20)4)21(30-22)35-14-15-8-6-5-7-9-15/h5-13H,14H2,1-4H3,(H2,27,28,33)