5-[(8-methoxy-2,2-dimethyl-4-thiophen-2-yl-chromen-6-yl)methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[(8-methoxy-2,2-dimethyl-4-thiophen-2-yl-chromen-6-yl)methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[8-methoxy-2,2-dimethyl-4-(2-thienyl)chromen-6-yl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[(8-methoxy-2,2-dimethyl-4-thiophen-2-yl-1-benzopyran-6-yl)methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[(8-methoxy-2,2-dimethyl-4-thiophen-2-ylchromen-6-yl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[[8-methoxy-2,2-dimethyl-4-(2-thienyl)chromen-6-yl]methyl]pyrimidin-4-yl]amine Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C2=CC(=CC(=C2O1)OC)CC3=CN=C(N=C3N)N)C4=CC=CS4)C

Isomeric SMILES

CC1(C=C(C2=CC(=CC(=C2O1)OC)CC3=CN=C(N=C3N)N)C4=CC=CS4)C

InChI

InChI=1S/C21H22N4O2S/c1-21(2)10-15(17-5-4-6-28-17)14-8-12(9-16(26-3)18(14)27-21)7-13-11-24-20(23)25-19(13)22/h4-6,8-11H,7H2,1-3H3,(H4,22,23,24,25)