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

Systemtic Name: 6-[[3-[bis(2-chloroethyl)aminomethyl]-4-methoxy-phenyl]amino]-1H-pyrimidin-2-one Openeye Name: 6-[3-[bis(2-chloroethyl)aminomethyl]-4-methoxy-anilino]-1H-pyrimidin-2-one CAS Name: 6-[3-[bis(2-chloroethyl)aminomethyl]-4-methoxyanilino]-1H-pyrimidin-2-one IUPAC Name: 6-[3-[bis(2-chloroethyl)aminomethyl]-4-methoxyanilino]-1H-pyrimidin-2-one Traditional Name: 6-[3-[bis(2-chloroethyl)aminomethyl]-4-methoxy-anilino]-1H-pyrimidin-2-one Formula: C16H20Cl2N4O2 MolecularWeight: 371.2616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=CC=NC(=O)N2)CN(CCCl)CCCl

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=CC=NC(=O)N2)CN(CCCl)CCCl

InChI

InChI=1S/C16H20Cl2N4O2/c1-24-14-3-2-13(20-15-4-7-19-16(23)21-15)10-12(14)11-22(8-5-17)9-6-18/h2-4,7,10H,5-6,8-9,11H2,1H3,(H2,19,20,21,23)