[1-azanyl-3-[[4-[[4-[[4-[3-[5-[bis(2-chloroethyl)amino]-2,4-bis(oxidanylidene)pyrimidin-1-yl]propanoylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]propylidene]azanium chloride

Systemtic Name: [1-azanyl-3-[[4-[[4-[[4-[3-[5-[bis(2-chloroethyl)amino]-2,4-bis(oxidanylidene)pyrimidin-1-yl]propanoylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]propylidene]azanium chloride Openeye Name: [1-amino-3-[[4-[[4-[[4-[3-[5-[bis(2-chloroethyl)amino]-2,4-dioxo-pyrimidin-1-yl]propanoylamino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]propylidene]ammonium chloride CAS Name: [1-amino-3-[[[4-[[[4-[[[4-[[3-[5-[bis(2-chloroethyl)amino]-2,4-dioxo-1-pyrimidinyl]-1-oxopropyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]propylidene]ammonium chloride IUPAC Name: [1-amino-3-[[4-[[4-[[4-[3-[5-[bis(2-chloroethyl)amino]-2,4-dioxopyrimidin-1-yl]propanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]propylidene]azanium chloride Traditional Name: [1-amino-3-[[4-[[4-[[4-[3-[5-[bis(2-chloroethyl)amino]-2,4-diketo-pyrimidin-1-yl]propanoylamino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]propylidene]ammonium chloride Formula: C32H41Cl3N12O6 MolecularWeight: 796.10374

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=[NH2+])N)C)C)NC(=O)CCN4C=C(C(=O)NC4=O)N(CCCl)CCCl.[Cl-]

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=[NH2+])N)C)C)NC(=O)CCN4C=C(C(=O)NC4=O)N(CCCl)CCCl.[Cl-]

InChI

InChI=1S/C32H40Cl2N12O6.ClH/c1-42-16-20(13-22(42)28(48)37-8-4-26(35)36)39-30(50)24-14-21(17-44(24)3)40-29(49)23-12-19(15-43(23)2)38-27(47)5-9-46-18-25(31(51)41-32(46)52)45(10-6-33)11-7-34;/h12-18H,4-11H2,1-3H3,(H3,35,36)(H,37,48)(H,38,47)(H,39,50)(H,40,49)(H,41,51,52);1H