1-[3-(dimethylamino)phenyl]-3-[1-(3,3-dimethyl-2-oxidanylidene-butyl)-2-oxidanylidene-5-pyrimidin-2-yl-3H-1,4-benzodiazepin-3-yl]urea

Systemtic Name: 1-[3-(dimethylamino)phenyl]-3-[1-(3,3-dimethyl-2-oxidanylidene-butyl)-2-oxidanylidene-5-pyrimidin-2-yl-3H-1,4-benzodiazepin-3-yl]urea Openeye Name: 1-[3-(dimethylamino)phenyl]-3-[1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-5-pyrimidin-2-yl-3H-1,4-benzodiazepin-3-yl]urea CAS Name: 1-[3-(dimethylamino)phenyl]-3-[1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-(2-pyrimidinyl)-3H-1,4-benzodiazepin-3-yl]urea IUPAC Name: 1-[3-(dimethylamino)phenyl]-3-[1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-pyrimidin-2-yl-3H-1,4-benzodiazepin-3-yl]urea Traditional Name: 1-[3-(dimethylamino)phenyl]-3-[2-keto-1-(2-keto-3,3-dimethyl-butyl)-5-(2-pyrimidyl)-3H-1,4-benzodiazepin-3-yl]urea Formula: C28H31N7O3 MolecularWeight: 513.59084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC(=CC=C3)N(C)C)C4=NC=CC=N4

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC(=CC=C3)N(C)C)C4=NC=CC=N4

InChI

InChI=1S/C28H31N7O3/c1-28(2,3)22(36)17-35-21-13-7-6-12-20(21)23(24-29-14-9-15-30-24)32-25(26(35)37)33-27(38)31-18-10-8-11-19(16-18)34(4)5/h6-16,25H,17H2,1-5H3,(H2,31,33,38)