2-azanyl-4-[(3,4-dimethylphenyl)methylamino]-6-(furan-2-yl)pyrimidine-5-carbonitrile

Systemtic Name: 2-azanyl-4-[(3,4-dimethylphenyl)methylamino]-6-(furan-2-yl)pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-[(3,4-dimethylphenyl)methylamino]-6-(2-furyl)pyrimidine-5-carbonitrile CAS Name: 2-amino-4-[(3,4-dimethylphenyl)methylamino]-6-(2-furanyl)-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-[(3,4-dimethylphenyl)methylamino]-6-(furan-2-yl)pyrimidine-5-carbonitrile Traditional Name: 2-amino-4-[(3,4-dimethylbenzyl)amino]-6-(2-furyl)pyrimidine-5-carbonitrile Formula: C18H17N5O MolecularWeight: 319.36048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC2=NC(=NC(=C2C#N)C3=CC=CO3)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)CNC2=NC(=NC(=C2C#N)C3=CC=CO3)N)C

InChI

InChI=1S/C18H17N5O/c1-11-5-6-13(8-12(11)2)10-21-17-14(9-19)16(22-18(20)23-17)15-4-3-7-24-15/h3-8H,10H2,1-2H3,(H3,20,21,22,23)