3-[7-[3-(2-azanyl-6-methyl-pyrimidin-4-yl)oxypropyl]-2,5-bis(oxidanylidene)-1-phenyl-3H-1,4-benzodiazepin-4-yl]butanoic acid

Systemtic Name: 3-[7-[3-(2-azanyl-6-methyl-pyrimidin-4-yl)oxypropyl]-2,5-bis(oxidanylidene)-1-phenyl-3H-1,4-benzodiazepin-4-yl]butanoic acid Openeye Name: 3-[7-[3-(2-amino-6-methyl-pyrimidin-4-yl)oxypropyl]-2,5-dioxo-1-phenyl-3H-1,4-benzodiazepin-4-yl]butanoic acid CAS Name: 3-[7-[3-[(2-amino-6-methyl-4-pyrimidinyl)oxy]propyl]-2,5-dioxo-1-phenyl-3H-1,4-benzodiazepin-4-yl]butanoic acid IUPAC Name: 3-[7-[3-(2-amino-6-methylpyrimidin-4-yl)oxypropyl]-2,5-dioxo-1-phenyl-3H-1,4-benzodiazepin-4-yl]butanoic acid Traditional Name: 3-[7-[3-(2-amino-6-methyl-pyrimidin-4-yl)oxypropyl]-2,5-diketo-1-phenyl-3H-1,4-benzodiazepin-4-yl]butyric acid Formula: C27H29N5O5 MolecularWeight: 503.54966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N)OCCCC2=CC3=C(C=C2)N(C(=O)CN(C3=O)C(C)CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NC(=N1)N)OCCCC2=CC3=C(C=C2)N(C(=O)CN(C3=O)C(C)CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C27H29N5O5/c1-17-13-23(30-27(28)29-17)37-12-6-7-19-10-11-22-21(15-19)26(36)31(18(2)14-25(34)35)16-24(33)32(22)20-8-4-3-5-9-20/h3-5,8-11,13,15,18H,6-7,12,14,16H2,1-2H3,(H,34,35)(H2,28,29,30)