5-(2-azanylpyrimidin-4-yl)-4-(4-methoxyphenyl)-2-[(phenylmethyl)amino]thiophene-3-carbonitrile

Systemtic Name: 5-(2-azanylpyrimidin-4-yl)-4-(4-methoxyphenyl)-2-[(phenylmethyl)amino]thiophene-3-carbonitrile Openeye Name: 5-(2-aminopyrimidin-4-yl)-2-(benzylamino)-4-(4-methoxyphenyl)thiophene-3-carbonitrile CAS Name: 5-(2-amino-4-pyrimidinyl)-4-(4-methoxyphenyl)-2-[(phenylmethyl)amino]-3-thiophenecarbonitrile IUPAC Name: 5-(2-aminopyrimidin-4-yl)-2-(benzylamino)-4-(4-methoxyphenyl)thiophene-3-carbonitrile Traditional Name: 5-(2-aminopyrimidin-4-yl)-2-(benzylamino)-4-(4-methoxyphenyl)thiophene-3-carbonitrile Formula: C23H19N5OS MolecularWeight: 413.49486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(SC(=C2C#N)NCC3=CC=CC=C3)C4=NC(=NC=C4)N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(SC(=C2C#N)NCC3=CC=CC=C3)C4=NC(=NC=C4)N

InChI

InChI=1S/C23H19N5OS/c1-29-17-9-7-16(8-10-17)20-18(13-24)22(27-14-15-5-3-2-4-6-15)30-21(20)19-11-12-26-23(25)28-19/h2-12,27H,14H2,1H3,(H2,25,26,28)