N-[1-[(2-isocyanophenyl)methyl]piperidin-4-yl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: N-[1-[(2-isocyanophenyl)methyl]piperidin-4-yl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[1-[(2-isocyanophenyl)methyl]-4-piperidyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[1-[(2-isocyanophenyl)methyl]-4-piperidinyl]-5,6-dimethyl-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[1-[(2-isocyanophenyl)methyl]piperidin-4-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine Traditional Name: (5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-[1-(2-isocyanobenzyl)-4-piperidyl]amine Formula: C21H23N5S MolecularWeight: 377.50582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3CCN(CC3)CC4=CC=CC=C4[N+]#[C-])C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3CCN(CC3)CC4=CC=CC=C4[N+]#[C-])C

InChI

InChI=1S/C21H23N5S/c1-14-15(2)27-21-19(14)20(23-13-24-21)25-17-8-10-26(11-9-17)12-16-6-4-5-7-18(16)22-3/h4-7,13,17H,8-12H2,1-2H3,(H,23,24,25)