6-azanyl-5-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-phenyl-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-5-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-phenyl-1H-pyrimidin-4-one Openeye Name: 6-amino-5-[[4-[bis(2-chloroethyl)amino]phenyl]methyleneamino]-2-phenyl-1H-pyrimidin-4-one CAS Name: 6-amino-5-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-phenyl-1H-pyrimidin-4-one IUPAC Name: 6-amino-5-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-phenyl-1H-pyrimidin-4-one Traditional Name: 6-amino-5-[[4-[bis(2-chloroethyl)amino]benzylidene]amino]-2-phenyl-1H-pyrimidin-4-one Formula: C21H21Cl2N5O MolecularWeight: 430.33034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=O)C(=C(N2)N)N=CC3=CC=C(C=C3)N(CCCl)CCCl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=O)C(=C(N2)N)N=CC3=CC=C(C=C3)N(CCCl)CCCl

InChI

InChI=1S/C21H21Cl2N5O/c22-10-12-28(13-11-23)17-8-6-15(7-9-17)14-25-18-19(24)26-20(27-21(18)29)16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H3,24,26,27,29)