4-[[3-[bis(2-chloroethyl)aminomethyl]-4-methoxy-phenyl]amino]-6-methyl-1H-pyrimidin-2-one

Systemtic Name: 4-[[3-[bis(2-chloroethyl)aminomethyl]-4-methoxy-phenyl]amino]-6-methyl-1H-pyrimidin-2-one Openeye Name: 4-[3-[bis(2-chloroethyl)aminomethyl]-4-methoxy-anilino]-6-methyl-1H-pyrimidin-2-one CAS Name: 4-[3-[bis(2-chloroethyl)aminomethyl]-4-methoxyanilino]-6-methyl-1H-pyrimidin-2-one IUPAC Name: 4-[3-[bis(2-chloroethyl)aminomethyl]-4-methoxyanilino]-6-methyl-1H-pyrimidin-2-one Traditional Name: 4-[3-[bis(2-chloroethyl)aminomethyl]-4-methoxy-anilino]-6-methyl-1H-pyrimidin-2-one Formula: C17H22Cl2N4O2 MolecularWeight: 385.28818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=O)N1)NC2=CC(=C(C=C2)OC)CN(CCCl)CCCl

Isomeric SMILES

CC1=CC(=NC(=O)N1)NC2=CC(=C(C=C2)OC)CN(CCCl)CCCl

InChI

InChI=1S/C17H22Cl2N4O2/c1-12-9-16(22-17(24)20-12)21-14-3-4-15(25-2)13(10-14)11-23(7-5-18)8-6-19/h3-4,9-10H,5-8,11H2,1-2H3,(H2,20,21,22,24)