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

Systemtic Name: 5-[(3-azanyl-4-methyl-5-pyrrol-1-yl-phenyl)methyl]pyrimidine-2,4-diamine Openeye Name: 5-[(3-amino-4-methyl-5-pyrrol-1-yl-phenyl)methyl]pyrimidine-2,4-diamine CAS Name: 5-[[3-amino-4-methyl-5-(1-pyrrolyl)phenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[(3-amino-4-methyl-5-pyrrol-1-ylphenyl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-(3-amino-4-methyl-5-pyrrol-1-yl-benzyl)pyrimidin-4-yl]amine Formula: C16H18N6 MolecularWeight: 294.35432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1N)CC2=CN=C(N=C2N)N)N3C=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1N)CC2=CN=C(N=C2N)N)N3C=CC=C3

InChI

InChI=1S/C16H18N6/c1-10-13(17)7-11(8-14(10)22-4-2-3-5-22)6-12-9-20-16(19)21-15(12)18/h2-5,7-9H,6,17H2,1H3,(H4,18,19,20,21)