1-[4-(2-ethoxyethylamino)pyrimidin-5-yl]-3-[1-(phenylmethyl)piperidin-4-yl]thiourea

Systemtic Name: 1-[4-(2-ethoxyethylamino)pyrimidin-5-yl]-3-[1-(phenylmethyl)piperidin-4-yl]thiourea Openeye Name: 1-(1-benzyl-4-piperidyl)-3-[4-(2-ethoxyethylamino)pyrimidin-5-yl]thiourea CAS Name: 1-[4-(2-ethoxyethylamino)-5-pyrimidinyl]-3-[1-(phenylmethyl)-4-piperidinyl]thiourea IUPAC Name: 1-(1-benzylpiperidin-4-yl)-3-[4-(2-ethoxyethylamino)pyrimidin-5-yl]thiourea Traditional Name: 1-(1-benzyl-4-piperidyl)-3-[4-(2-ethoxyethylamino)pyrimidin-5-yl]thiourea Formula: C21H30N6OS MolecularWeight: 414.5675

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCNC1=NC=NC=C1NC(=S)NC2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOCCNC1=NC=NC=C1NC(=S)NC2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H30N6OS/c1-2-28-13-10-23-20-19(14-22-16-24-20)26-21(29)25-18-8-11-27(12-9-18)15-17-6-4-3-5-7-17/h3-7,14,16,18H,2,8-13,15H2,1H3,(H,22,23,24)(H2,25,26,29)