N-(2-azanylethyl)-2-[3-[4-(5-chloranyl-2-methoxy-phenyl)piperazin-1-yl]propylamino]pyrimidine-4-carboxamide

Systemtic Name: N-(2-azanylethyl)-2-[3-[4-(5-chloranyl-2-methoxy-phenyl)piperazin-1-yl]propylamino]pyrimidine-4-carboxamide Openeye Name: N-(2-aminoethyl)-2-[3-[4-(5-chloro-2-methoxy-phenyl)piperazin-1-yl]propylamino]pyrimidine-4-carboxamide CAS Name: N-(2-aminoethyl)-2-[3-[4-(5-chloro-2-methoxyphenyl)-1-piperazinyl]propylamino]-4-pyrimidinecarboxamide IUPAC Name: N-(2-aminoethyl)-2-[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]propylamino]pyrimidine-4-carboxamide Traditional Name: N-(2-aminoethyl)-2-[3-[4-(5-chloro-2-methoxy-phenyl)piperazino]propylamino]pyrimidine-4-carboxamide Formula: C21H30ClN7O2 MolecularWeight: 447.9616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)N2CCN(CC2)CCCNC3=NC=CC(=N3)C(=O)NCCN

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N2CCN(CC2)CCCNC3=NC=CC(=N3)C(=O)NCCN

InChI

InChI=1S/C21H30ClN7O2/c1-31-19-4-3-16(22)15-18(19)29-13-11-28(12-14-29)10-2-7-25-21-26-8-5-17(27-21)20(30)24-9-6-23/h3-5,8,15H,2,6-7,9-14,23H2,1H3,(H,24,30)(H,25,26,27)