5-[[4-methoxy-3,5-di(pyrrol-1-yl)phenyl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[4-methoxy-3,5-di(pyrrol-1-yl)phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[4-methoxy-3,5-di(pyrrol-1-yl)phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[4-methoxy-3,5-bis(1-pyrrolyl)phenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[4-methoxy-3,5-di(pyrrol-1-yl)phenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[4-methoxy-3,5-di(pyrrol-1-yl)benzyl]pyrimidin-4-yl]amine Formula: C20H20N6O MolecularWeight: 360.4124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1N2C=CC=C2)CC3=CN=C(N=C3N)N)N4C=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1N2C=CC=C2)CC3=CN=C(N=C3N)N)N4C=CC=C4

InChI

InChI=1S/C20H20N6O/c1-27-18-16(25-6-2-3-7-25)11-14(12-17(18)26-8-4-5-9-26)10-15-13-23-20(22)24-19(15)21/h2-9,11-13H,10H2,1H3,(H4,21,22,23,24)